The Chemistry Implementation Network (ChIN) is focused on supporting the FAIR
Data needs of the research community regarding chemical related data. An
Implementation Network is a consortium drawn ...from a community, in this case the
chemistry discipline, committed to defining and constructing standards,
materials and software in the spirit of the FAIR data principles and under the
structure of the GO FAIR project. Furthermore, as a core science the ChIN has to
reach beyond the chemistry community and support the use of chemical information
in other disciplines. This will be facilitated through connections in the GO
FAIR ecosystem of Implementation Networks. Examples of the FAIR chemical
concepts that need to be supported include molecular and materials structures,
chemical reactions, nomenclature and other chemical terminology and conventions.
The ChIN aims to drive forward the application of the FAIR Data Principles
relating to the full range of chemistry concepts that are key to the transparent
and efficient communication of chemical information. Realizing the goal of FAIR
chemistry data will require a culture change across the discipline. However this
is best addressed once a critical mass of tools and approaches has been
developed.
The present investigation is mainly focused upon the effect of adding zinc oxide nano particles in the conventional heat transfer fluid involving the mixture of ethylene glycol & water (EG-water). ...Efforts have been made to synthesize zinc oxide nano particles by precipitation technique and to blend with EG-water to prepare nanofluids using ultrasonication. From the characterization, the shapes of the particles were found to be agglomerated nano flakes. The ultrasonic velocity and transport properties have been measured to characterize the nanofluids and they also shed light on the molecular environment of the dispersed phase at different temperatures. The dynamic viscosity shows the nanofluids to be non-Newtonian fluids at very less shear rate. In addition, the stability of the nanofluid is being interpreted from UV-visible study.
Numerous clinical studies have demonstrated the influence of the size, number and shape of pores into calcium phosphate ceramics on the process of bone regeneration.
The main objective of this study ...is to determine the microstructure, the morphological characteristics and classes of pores of the prepared hydroxyapatite bioceramic using an adaptive method based on the mathematical morphological operations. The study was carried out using X-ray microtomography and Scanning Electron Microscopy images. The conventional method of openings alone presents limitation of calculation and not sufficient to achieve our objective. The proposed method allowed us to extract local characteristics and calculate precisely the morphological parameters while preserving the original volume of pores. The number and classes of pores with their size, surface of contact of the component and the number of connected pores to each pore were calculated. The method is subjectively and quantitatively evaluated using different computed phantoms and its efficiency is clearly demonstrated through the different reports and measurements generated. The proposed method can have interesting applications in the characterization of porous materials used in the medical field or in other sectors.
Tri Ethyl Ammonium Picrate (TEAP) and Yttrium (Y2+) ions doped single crystals were grown by slow evaporation technique at room temperature. The estimated band gap of the pure TEAP, 0.10 mol % and ...0.15 mol % of Y2+ ions doped TEAP are 3.76 eV, 3.82 eV and 3.86 eV. Crystallite size of the grown materials was calculated from powder XRD as 1.456 nm for TEAP, 3.2028 nm for 0.10 mol % of Y2+ ions doped TEAP and 6.934 nm for 0.15 mol % of Y2+ ions doped TEAP single crystals. Y–O stretching mode was assigned by FTIR spectral peak at 549 cm−1. The PL excitation wavelength of the grown materials is 350 nm. The EDAX analysis confirmed by the Carbon, Nitrogen, Oxygen and Yttrium were presented in grown crystals.
The structural, optical and magnetic properties of ordered MxPt1-x (M = Co, Ni and V) binary alloys have been investigated using Vienna ab initio Simulation Package (VASP) within the framework of ...Density Functional Theory (DFT) and the Generalized Gradient Approximation (GGA). Ab initio calculations have been performed to obtain the most stable structure for each of the three binary systems. In addition, the optical and electrical properties such as electronic band structure, density of states and partial density of states of MxPt1-x binary alloys have been investigated. Specifically, total energy minimization has been performed to calculate the equilibrium in-plane, ao, out-of-plane, co, and volume, Vo, structural lattice parameters of MxPt1-x binary alloys. We found that ao, co and Vo for CoPt, NiPt and VPt3 equal to (ao = 3.806 A, co = 3.707 A and Vo = 53.7 A3) (ao = 3.84 A, co = 3.62 A and Vo = 53.64 A3) and (ao = 3.88 A, co = 7.88 A and Vo = 118.71 A3) respectively. Furthermore, the magneto-crystalline anisotropy energies (MAE) have been calculated to get a deeper insight into magnetic characteristics of the MxPt1- x binary alloys. We found that MAE values for CoPt, NiPt and VPt3 binaries are equal to 1.60, 0.231 and 0.0116 meV/unit cell respectively. These MAE values correspond to magneto-crystalline anisotropy constant K values equal to 4.8 ×107, 6.9 ×106 and 1.46 × 105 erg/cm3. The obtained results reveal that CoPt and NiPt binary systems exhibit attractive optical and magnetic properties, which make both systems potential candidates for magneto-optical and optical-electronic devices. Our results are in good agreement with the previous experimental and theoretical findings.
In the present work, the static and the dynamic analysis of intelligent advanced beams structures with piezoelectric actuators have been studied. The structure substrate is made of isotropic and/or ...anisotropic materials, subjected to axial and transverse mechanical loads as well as electrical load. The actuators’ layers are made of piezoelectric material of PZT type. The model is able to solve the structure with piezoelectric actuators either patches or completely covers the structure; in the upper or lower surface or impeded in the structure. The classical laminate theory is used to represent the deformation of the lamination for each considered structure. The ID isoperimetric Hermit cubic shape functions and the Lagrange interpolation functions are used to formulate the finite element model for the distributed coupled electromechanical behavior. The equations of motion of each structure system is obtained by using the principle of total potential energy considering the Euler-Bernoulli beam assumptions. A Matlab code is prepared to perform the analysis of such beams. The results of the proposed finite element model for each structure are compared to the available finite element and analytical results of other investigators, good agreement is generally obtained.
The authors report the identification of a new equilibrium microdomain morphology in an intermediate to weakly segregated diblock copolymer melt. A polystyrene-polyisoprene (SI) diblock copolymer ...consisting of 37 wt% styrene and of total Msub w = 27,400 was observed to transform from the lamellar morphology (in equilibrium at low annealing temperatures) to a new morphology at annealing temperatures approximately 50 C below the order-disorder transition (ODT). The transformation was observed to be thermoreversible. Investigation of the new morphology via small-angle X-ray scattering (SAXS) and transmission electron microscopy (TEM) revealed the new structure to have remarkable three-dimensional long-range order, to belong to the cubic space group Ia3d, and to possess a bicontinuous cubic microstructure. From computer simulations of model structures and comparison with microscopy results, the authors propose models for the new morphology based on the triply periodic G minimal surface (gyroid) discovered by Schoen; similar morphologies have been observed in a variety of microphase-separated surfactant-water systems. Blends of this diblock with various short-chain homopolymers were used to investigate the compositional extent of the region of Ia3d stability on the phase diagram; the results indicate that the Ia3d phase is stable over a wide range of minority component volume fractions.
Possibly the most impactful material in the nanotechnology arena, carbon nanotubes have spurred a tremendous amount of scientific research and development. Their superior mechanical and chemical ...robustness makes them easily manipulable and allows for the assembly of various types of devices, including electronic, electromechanical, opto-electronic and sensing devices.
In the field of nanotube devices, however, concepts that describe the properties of conventional devices do not apply. Carbon nanotube devices behave much differently from those using traditional materials, and offer entirely new functionality. This book is designed for researchers, engineers and graduate students and bridges the experimental and theoretical aspects of carbon nanotube devices. It emphasizes and explains the underlying physics that govern their working principles, including applications in electronics, nanoelectromechanical systems, field emission, optoelectronics and sensing.
Local and near surface structure from diffraction Barabash, Rozaliya I.; Ice, Gene E.
Materials science & engineering. A, Structural materials : properties, microstructure and processing,
01/2010, Letnik:
528, Številka:
1
Journal Article
Recenzirano
This special topic of
Materials Science and Engineering A
highlights novel applications of X-ray and neutron diffraction for the analysis of a range of materials, including conventional and ...nanostructured materials, thin films, bio-inspired materials, and superalloys. The development of ultra-brilliant synchrotron X-ray sources and recent advances in neutron diffraction provide important new opportunities for the analysis of local and near surface material structures at multiple length scales.
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